cyclobutyl-[4-[4-(1,4-diazepan-1-ylcarbonyl)-2-nitro-phenyl]piperazin-1-yl]methanone

Systemtic Name: cyclobutyl-[4-[4-(1,4-diazepan-1-ylcarbonyl)-2-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: cyclobutyl-[4-[4-(1,4-diazepane-1-carbonyl)-2-nitro-phenyl]piperazin-1-yl]methanone CAS Name: cyclobutyl-[4-[4-[1,4-diazepan-1-yl(oxo)methyl]-2-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: cyclobutyl-[4-[4-(1,4-diazepane-1-carbonyl)-2-nitrophenyl]piperazin-1-yl]methanone Traditional Name: cyclobutyl-[4-[4-(1,4-diazepane-1-carbonyl)-2-nitro-phenyl]piperazino]methanone Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)[N+](=O)[O-]

Isomeric SMILES

C1CC(C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H29N5O4/c27-20(16-3-1-4-16)25-13-11-23(12-14-25)18-6-5-17(15-19(18)26(29)30)21(28)24-9-2-7-22-8-10-24/h5-6,15-16,22H,1-4,7-14H2